4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid

C24H26N2O3 — CID 25157854

IUPAC4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(Cc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c27-24(28)11-6-9-20-12-14-22(15-13-20)29-18-17-26(23-10-4-5-16-25-23)19-21-7-2-1-3-8-21/h1-5,7-8,10,12-16H,6,9,11,17-19H2,(H,27,28)
InChIKeyMVRIPSMLVDKBPO-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.57
Rot. Bonds11

About 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid

4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid (PubChem CID 25157854) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
PubChem CID25157854
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCCN(Cc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c27-24(28)11-6-9-20-12-14-22(15-13-20)29-18-17-26(23-10-4-5-16-25-23)19-21-7-2-1-3-8-21/h1-5,7-8,10,12-16H,6,9,11,17-19H2,(H,27,28)
InChIKeyMVRIPSMLVDKBPO-UHFFFAOYSA-N
XLogP4.57
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid (CID 25157854) is 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid is O=C(O)CCCc1ccc(OCCN(Cc2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The InChIKey is MVRIPSMLVDKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-24(28)11-6-9-20-12-14-22(15-13-20)29-18-17-26(23-10-4-5-16-25-23)19-21-7-2-1-3-8-21/h1-5,7-8,10,12-16H,6,9,11,17-19H2,(H,27,28).
What are the key properties of 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid has a molecular weight of 390.48 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[benzyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25157854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).